SCHEMBL9831508

SCHEMBL9831508

CCC[C@H](NC(=O)c1cccc(S(=O)(=O)O)c1)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA2 P00918 8/20 0.51
GPR132 Q9UNW8 3/20 0.51
TAS1R3 Q7RTX0 4/20 0.49
TAS1R1 Q7RTX1 4/20 0.49
ALDH1A1 P00352 3/20 0.48
GAA P10253 1/20 0.48
CA1 P00915 5/20 0.46
CA12 O43570 3/20 0.46
CA9 Q16790 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
LMNA P02545 1/20 0.45

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9831504 1.00 CA2 (0.51) CA2GPR132TAS1R3TAS1R1ALDH1A1
SCHEMBL9829699 0.87 CA2 (0.48) CA2ALDH1A1GAACA1CA12
SCHEMBL9829708 0.87 CA2 (0.48) CA2ALDH1A1GAACA1CA12
SCHEMBL19071757 0.86 GPR132 (0.48) CA2GPR132TAS1R3TAS1R1ALDH1A1
SCHEMBL9830488 0.85 CA2 (0.60) CA2ALDH1A1GAACA1CA12
SCHEMBL9830491 0.85 CA2 (0.60) CA2ALDH1A1GAACA1CA12
SCHEMBL10660362 0.81 TAS1R3 (0.72) GPR132TAS1R3TAS1R1ALDH1A1SMN1; SMN2
SCHEMBL10660357 0.81 TAS1R3 (0.72) GPR132TAS1R3TAS1R1ALDH1A1SMN1; SMN2
SCHEMBL9829285 0.80 RAB9A (0.60) CA2GPR132ALDH1A1CA1CA12
SCHEMBL3948327 0.80 RAB9A (0.60) CA2GPR132ALDH1A1CA1CA12

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0226304-B1 COMPOSITION CONTAINING A PENEM OR CARBAPENEM ANTIBIOTIC SANKYO COMPANY LIMITED (JP) 1991-08-28 EP disclosed
US-4757066-A Reduces renal toxicity SANKYO COMPANY LIMITED (JP) 1988-07-12 US disclosed
EP-0226304-A1 Composition containing a penem or carbapenem antibiotic SANKYO COMPANY LIMITED (JP) 1987-06-24 EP disclosed